Go to the documentation of this file.
39 #ifndef HERMITE_CONVERSION_PREP_HEADER
40 #define HERMITE_CONVERSION_PREP_HEADER
115 void write_to_buffer (
char * dataBuffer,
size_t const bufferSize )
const;
#define BASIS_FUNC_POLY_MAX_DEGREE
Definition: polydegree.h:51
int get_hermite_conversion_matrix_symb(const monomial_info_struct *monomial_info, int nmax, int inverseFlag, symb_matrix_element *result)
Definition: hermite_conversion_symb.cc:217
int j
Definition: simple_sparse_mat.h:44
Definition of the main floating-point datatype used; the ergo_real type.
int a_power
Definition: hermite_conversion_prep.h:62
int destIndex
Definition: hermite_conversion_prep.h:50
Code for conversion between integrals computed for Hermite Gaussians and Cartesian Gaussians,...
void write_to_buffer(char *dataBuffer, size_t const bufferSize) const
Function needed for Chunks&Tasks usage.
Definition: hermite_conversion_prep.cc:372
double ergo_real
Definition: realtype.h:69
int idx_j
Definition: hermite_conversion_prep.h:60
int dummy
Definition: hermite_conversion_prep.h:63
int counters_left[HERMITE_CONVERSION_MAX_N+1][HERMITE_CONVERSION_MAX_N+1]
Definition: hermite_conversion_prep.h:76
int multiply_by_hermite_conversion_matrix_from_left(const monomial_info_struct &monomial_info, int n1max, int n2max, ergo_real a, ergo_real *A, ergo_real *result) const
Definition: hermite_conversion_prep.cc:242
Constant determining which kinds of Gaussian basis functions are allowed; s, p, d,...
Treal template_blas_fabs(Treal x)
int sourceIndex
Definition: hermite_conversion_prep.h:51
int idx_k
Definition: hermite_conversion_prep.h:61
int no_of_monomials_list[MONOMIAL_N_MAX+1]
Definition: monomial_info.h:61
hermite_conversion_contrib_struct_ptr list_left[HERMITE_CONVERSION_MAX_N+1][HERMITE_CONVERSION_MAX_N+1]
Definition: hermite_conversion_prep.h:74
int same_i_count
Definition: simple_sparse_mat.h:45
const int HERMITE_CONVERSION_MAX_N
Definition: hermite_conversion_prep.h:69
void assign_from_buffer(char const *dataBuffer, size_t const bufferSize)
Function needed for Chunks&Tasks usage.
Definition: hermite_conversion_prep.cc:428
Code for conversion between integrals computed for Hermite Gaussians and Cartesian Gaussians,...
size_t get_size() const
Function needed for Chunks&Tasks usage.
Definition: hermite_conversion_prep.cc:408
Simple sparse matrix implementation.
int a_power
Definition: hermite_conversion_prep.h:52
Definition: hermite_conversion_prep.h:71
Definition: hermite_conversion_prep.h:49
hermite_conversion_info_struct()
Definition: hermite_conversion_prep.cc:194
void print(int area, const char *routine)
Definition: utilities.h:111
int counters_left_simple[HERMITE_CONVERSION_MAX_N+1]
Definition: hermite_conversion_prep.h:81
const int MAX_NO_OF_CONTRIBS
Definition: hermite_conversion_prep.cc:50
Code used to organize monomials; contributions like x, y, z, xy, xz etc. that can be used to describe...
Basic OS access utilities.
ergo_real coeff
Definition: hermite_conversion_prep.h:64
ergo_real coeff
Definition: hermite_conversion_prep.h:54
hermite_conversion_contrib_struct_ptr list_right[HERMITE_CONVERSION_MAX_N+1][HERMITE_CONVERSION_MAX_N+1]
Definition: hermite_conversion_prep.h:73
ergo_real value
Definition: simple_sparse_mat.h:46
#define LOG_AREA_INTEGRALS
Definition: output.h:60
hermite_conversion_element_struct_ptr list_left_simple[HERMITE_CONVERSION_MAX_N+1]
Definition: hermite_conversion_prep.h:79
int get_hermite_conversion_matrix_right_sparse(const monomial_info_struct &monomial_info, int nmax, ergo_real a, i_j_val_struct *result) const
Definition: hermite_conversion_prep.cc:295
int get_hermite_conversion_matrix_right(const monomial_info_struct &monomial_info, int nmax, ergo_real a, ergo_real *result) const
Definition: hermite_conversion_prep.cc:272
int multiply_by_hermite_conversion_matrix_from_right(const monomial_info_struct &monomial_info, int n1max, int n2max, ergo_real a, ergo_real *A, ergo_real *result) const
Definition: hermite_conversion_prep.cc:212
hermite_conversion_contrib_struct * hermite_conversion_contrib_struct_ptr
Definition: hermite_conversion_prep.h:57
int dummy
Definition: hermite_conversion_prep.h:53
int get_hermite_conversion_matrix_left(const monomial_info_struct &monomial_info, int nmax, ergo_real a, ergo_real *result) const
Definition: hermite_conversion_prep.cc:320
Definition: monomial_info.h:58
~hermite_conversion_info_struct()
Definition: hermite_conversion_prep.cc:198
void init(const monomial_info_struct &monomial_info)
Definition: hermite_conversion_prep.cc:56
void clear_lists()
Definition: hermite_conversion_prep.cc:177
int counters_right_simple[HERMITE_CONVERSION_MAX_N+1]
Definition: hermite_conversion_prep.h:80
hermite_conversion_element_struct_ptr list_right_simple[HERMITE_CONVERSION_MAX_N+1]
Definition: hermite_conversion_prep.h:78
Definition: hermite_conversion_prep.h:59
int i
Definition: simple_sparse_mat.h:43
Definition: simple_sparse_mat.h:42
Time-measuring class.
Definition: utilities.h:80
int counters_right[HERMITE_CONVERSION_MAX_N+1][HERMITE_CONVERSION_MAX_N+1]
Definition: hermite_conversion_prep.h:75
hermite_conversion_element_struct * hermite_conversion_element_struct_ptr
Definition: hermite_conversion_prep.h:67